4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazole

C₁₉H₂₀N₄CAS 152628-02-9304.40 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₂₀N₄
Molar mass: 304.40 g/mol
Exact mass: 304.1688 Da
Melting point: 130–135 °C
logP: 4.38Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H411 Toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

152628-02-9

SMILES

CCCc1nc2cc(-c3nc4ccccc4n3C)cc(C)c2[nH]1

InChIKey

ILXRSCZVHSZGCS-UHFFFAOYSA-N

InChI

InChI=1S/C19H20N4/c1-4-7-17-20-15-11-13(10-12(2)18(15)22-17)19-21-14-8-5-6-9-16(14)23(19)3/h5-6,8-11H,4,7H2,1-3H3,(H,20,22)

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Names and synonyms

8 names

2-Propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazole
2,5′-Bi-1H-benzimidazole, 1,7′-dimethyl-2′-propyl-
1,7′-Dimethyl-2′-propyl-2,5′-bi-1H-benzimidazole
4-Methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
1,7′-Dimethyl-2′-propyl-2,5′-bibenzimidazole
2-Propyl-4-methyl-6-(1-methylbenzimidazole-2-yl)benzimidazole
1,7′-Dimethyl-2′-propyl-1H,1′H-2,5′-bibenzo[d]imidazole
2-n-Propyl-4-methyl-6-(1′-methylbenzimidazole-2-yl)benzimidazole

Work with 4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic acid152628-03-047 % similar Telmisartan144701-48-445 % similar Methyl 4′-[[2-propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]biphenyl-2-carboxylate528560-93-244 % similar Telmisartan sodium515815-47-144 % similar 2-Propyl-1H-benzimidazole5465-29-241 % similar (1-Methyl-1H-benzimidazol-2-yl)methylamine20028-40-435 % similar 2-Pentyl-1H-benzimidazole5851-46-734 % similar 2-Heptylbenzimidazole5851-49-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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